Population Analysis with Hydrogen 2 p Polarization Functions Included in the INDO Basis Set
Mulliken population analysis with 2p polarization functions included in the AO basis set of the INDO method has been performed for a set of molecules containing hydrogen as well as first row atoms. It is found that this enlargement of the basis set yields an increasing electron population in hydroge...
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| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_09320784_v35_n12_p1350_Facelli |
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todo:paper_09320784_v35_n12_p1350_Facelli2023-10-03T15:48:30Z Population Analysis with Hydrogen 2 p Polarization Functions Included in the INDO Basis Set Facelli, J.C. Contreras, R.H. Mulliken population analysis with 2p polarization functions included in the AO basis set of the INDO method has been performed for a set of molecules containing hydrogen as well as first row atoms. It is found that this enlargement of the basis set yields an increasing electron population in hydrogen atoms, in agreement with trends found in “initio” methods. © 1980, Walter de Gruyter. All rights reserved. Fil:Facelli, J.C. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Contreras, R.H. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_09320784_v35_n12_p1350_Facelli |
| institution |
Universidad de Buenos Aires |
| institution_str |
I-28 |
| repository_str |
R-134 |
| collection |
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) |
| description |
Mulliken population analysis with 2p polarization functions included in the AO basis set of the INDO method has been performed for a set of molecules containing hydrogen as well as first row atoms. It is found that this enlargement of the basis set yields an increasing electron population in hydrogen atoms, in agreement with trends found in “initio” methods. © 1980, Walter de Gruyter. All rights reserved. |
| format |
JOUR |
| author |
Facelli, J.C. Contreras, R.H. |
| spellingShingle |
Facelli, J.C. Contreras, R.H. Population Analysis with Hydrogen 2 p Polarization Functions Included in the INDO Basis Set |
| author_facet |
Facelli, J.C. Contreras, R.H. |
| author_sort |
Facelli, J.C. |
| title |
Population Analysis with Hydrogen 2 p Polarization Functions Included in the INDO Basis Set |
| title_short |
Population Analysis with Hydrogen 2 p Polarization Functions Included in the INDO Basis Set |
| title_full |
Population Analysis with Hydrogen 2 p Polarization Functions Included in the INDO Basis Set |
| title_fullStr |
Population Analysis with Hydrogen 2 p Polarization Functions Included in the INDO Basis Set |
| title_full_unstemmed |
Population Analysis with Hydrogen 2 p Polarization Functions Included in the INDO Basis Set |
| title_sort |
population analysis with hydrogen 2 p polarization functions included in the indo basis set |
| url |
http://hdl.handle.net/20.500.12110/paper_09320784_v35_n12_p1350_Facelli |
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